APROFENE
SMILES | CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 |
InChIKey | DIDYGLSKVUKRRP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 325.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.2 | 7.17 | 8.13 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.11 | 6.61 | 8.11 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.97 | 7.5 | 8.03 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 8.5 | 8.5 | 8.5 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.58 | 8.03 | 8.68 | ChEMBL |
M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.31 | 8.31 | 8.31 | PDSP Ki database |
M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 9.07 | 9.07 | 9.07 | PDSP Ki database |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.42 | 8.42 | 8.42 | PDSP Ki database |
M4 | ACM4 | Chicken | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | PDSP Ki database |
M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 8.47 | 8.47 | 8.47 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |